2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-N-(2-oxo-2,3-dihydro-1H-indol-5-yl)piperidine-1-carboxamide

• ChemBase ID: 374626
• Molecular Formular: C20H25N5O2
• Molecular Mass: 367.4448
• Monoisotopic Mass: 367.20082507
• SMILES: C(=O)(N1C(CCn2c(ncc2)C)CCCC1)Nc1cc2c(NC(=O)C2)cc1
• Canonical SMILES: O=C1Nc2c(C1)cc(cc2)NC(=O)N1CCCCC1CCn1ccnc1C
• InChI: InChI=1S/C20H25N5O2/c1-14-21-8-11-24(14)10-7-17-4-2-3-9-25(17)20(27)22-16-5-6-18-15(12-16)13-19(26)23-18/h5-6,8,11-12,17H,2-4,7,9-10,13H2,1H3,(H,22,27)(H,23,26)
• InChIKey: BQPATDLPJAGANL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-N-(2-oxo-2,3-dihydro-1H-indol-5-yl)piperidine-1-carboxamide
• IUPAC Traditional name: 2-[2-(2-methylimidazol-1-yl)ethyl]-N-(2-oxo-1,3-dihydroindol-5-yl)piperidine-1-carboxamide
• Synonyms: 2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-N-(2-oxo-2,3-dihydro-1H-indol-5-yl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.9690695
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.4107818
• LogD (pH = 7.4): 1.1787063
• Log P: 1.4236517
• Molar Refractivity: 105.9768 cm^3
• Polarizability: 38.995186 Å^3
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.35
• LOG S: -3.49
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 4